SCHEMBL710467

SCHEMBL710467

O=C(O)Cc1cc(C(=O)c2ccc(S(=O)(=O)N3CCNCC3)cc2)c2cc(F)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.56
ALDH1A1 P00352 1/20 0.44
TDO2 P48775 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
PKM P14618 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Tert-Butyl Formate SCHEMBL27823483 0.91 PTGDR2 (0.50) PTGDR2ALDH1A1TDO2MAPK8MAPK9
Ethoxycarbonyl Group SCHEMBL27823477 0.91 PTGDR2 (0.50) PTGDR2ALDH1A1TDO2MAPK8MAPK9
SCHEMBL709895 0.90 PTGDR2 (0.58) PTGDR2ALDH1A1
SCHEMBL709881 0.89 PTGDR2 (0.58) PTGDR2ALDH1A1
SCHEMBL2169900 0.89 PTGDR2 (0.56) PTGDR2
SCHEMBL711593 0.89 PTGDR2 (0.56) PTGDR2ALDH1A1
SCHEMBL708417 0.88 PTGDR2 (0.47) PTGDR2ALDH1A1TDO2MAPK8MAPK9
SCHEMBL27823482 0.85 PTGDR2 (0.44) PTGDR2ALDH1A1TDO2MAPK8MAPK9
SCHEMBL709999 0.84 PTGDR2 (0.56) PTGDR2ALDH1A1PKM
SCHEMBL708235 0.84 PTGDR2 (0.56) PTGDR2ALDH1A1PKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US claimed
EP-2346807-A1 NAPHTHYLACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP claimed
US-20100137250-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-06-03 US claimed
WO-2010055005-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO claimed
US-8124629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
US-8124629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
US-8124629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
EP-2346807-A1 NAPHTHYLACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP disclosed
US-20100137250-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-06-03 US disclosed
US-20100137250-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-06-03 US disclosed
US-20100137250-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-06-03 US disclosed
WO-2010055005-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO disclosed
WO-2010055005-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100137250-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 PTGDR2 39/4885ALDH1A1 754/4885TDO2 2598/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.